2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol

C9H10INO — CID 130635018

IUPAC2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
SMILESC=C[C@@H](N)c1cccc(I)c1O
InChIInChI=1S/C9H10INO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m1/s1
InChIKeyDXSWYVCWXLTTIF-MRVPVSSYSA-N
MW275.09 g/mol
LogP2.18
Rot. Bonds2

About 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol

2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol (PubChem CID 130635018) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
PubChem CID130635018
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
SMILESC=C[C@@H](N)c1cccc(I)c1O
InChIInChI=1S/C9H10INO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m1/s1
InChIKeyDXSWYVCWXLTTIF-MRVPVSSYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
CID 66513231
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983
6-[(1S)-1-aminoprop-2-enyl]-2,3-difluorophenol;hydrochloride
CID 171253100
6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
CID 130894325
(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol (CID 130635018) is 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol is C=C[C@@H](N)c1cccc(I)c1O.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol?
The InChIKey is DXSWYVCWXLTTIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10INO/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,8,12H,1,11H2/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol?
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol has a molecular weight of 275.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol is sourced from PubChem (CID 130635018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).